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Title: THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEB SITE, AND ON(OFF)LINE TOOLS

A significantly updated version of the NASA Ames PAH IR Spectroscopic Database, the first major revision since its release in 2010, is presented. The current version, version 2.00, contains 700 computational and 75 experimental spectra compared, respectively, with 583 and 60 in the initial release. The spectra span the 2.5-4000 μm (4000-2.5 cm{sup -1}) range. New tools are available on the site that allow one to analyze spectra in the database and compare them with imported astronomical spectra as well as a suite of IDL object classes (a collection of programs utilizing IDL's object-oriented programming capabilities) that permit offline analysis called the AmesPAHdbIDLSuite. Most noteworthy among the additions are the extension of the computational spectroscopic database to include a number of significantly larger polycyclic aromatic hydrocarbons (PAHs), the ability to visualize the molecular atomic motions corresponding to each vibrational mode, and a new tool that allows one to perform a non-negative least-squares fit of an imported astronomical spectrum with PAH spectra in the computational database. Finally, a methodology is described in the Appendix, and implemented using the AmesPAHdbIDLSuite, that allows the user to enforce charge balance during the fitting procedure.
Authors:
; ;  [1] ; ;  [2] ; ; ; ;  [3] ;  [4]
  1. NASA Ames Research Center, MS 245-6, Moffett Field, CA 94035 (United States)
  2. NASA Ames Research Center, MS 230-3, Moffett Field, CA 94035 (United States)
  3. SETI Institute, 189 Bernardo Avenue 100, Mountain View, CA 94043 (United States)
  4. NASA Headquarters, MS 3Y28, 300 E St. SW, Washington, DC 20546 (United States)
Publication Date:
OSTI Identifier:
22340328
Resource Type:
Journal Article
Resource Relation:
Journal Name: Astrophysical Journal, Supplement Series; Journal Volume: 211; Journal Issue: 1; Other Information: Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; DATA BASE MANAGEMENT; INFRARED SPECTRA; LEAST SQUARE FIT; POLYCYCLIC AROMATIC HYDROCARBONS; PROGRAMMING; SPECTROSCOPY